CID 15672465

Ec 700-105-8

Structural Information

Molecular Formula
C19H18O5
SMILES
CC(=C)C(=O)OCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C19H18O5/c1-13(2)19(22)24-11-10-23-15-8-9-16(17(20)12-15)18(21)14-6-4-3-5-7-14/h3-9,12,20H,1,10-11H2,2H3
InChIKey
DOZGRCMRCPSZHG-UHFFFAOYSA-N
Compound name
2-(4-benzoyl-3-hydroxyphenoxy)ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

993
Patents

326.11542 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 175.0
[M+Na]+ 349.10464 180.3
[M-H]- 325.10814 180.0
[M+NH4]+ 344.14924 187.6
[M+K]+ 365.07858 177.4
[M+H-H2O]+ 309.11268 166.8
[M+HCOO]- 371.11362 194.7
[M+CH3COO]- 385.12927 206.7
[M+Na-2H]- 347.09009 175.0
[M]+ 326.11487 177.8
[M]- 326.11597 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe